Information card for entry 7233931

Structure parameters

• Formula: C10 H8 B F2 O3
• Calculated formula: C10 H8 B F2 O3
• Title of publication: Polycatenar unsymmetrical beta-diketonate ligands as a useful tool to induce columnar mesomorphism on highly luminescent boron difluoride complexes
• Authors of publication: Ignacio Sanchez; Cristina Nunez; Jose Antonio Campo; M. Rosario Torres; Mercedes Cano; Carlos Lodeiro
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 9653 - 9655
• a: 7.1119 ± 0.0017 Å
• b: 7.1154 ± 0.0017 Å
• c: 10.282 ± 0.002 Å
• α: 90°
• β: 90.989 ± 0.004°
• γ: 90°
• Cell volume: 520.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No